x | y | z | Uiso*/Ueq | ||
C1 | 0.31122 (17) | 0.72867 (15) | 0.95763 (8) | 0.0378 (3) | |
C2 | 0.08813 (17) | 0.80823 (15) | 1.11146 (8) | 0.0382 (3) | |
C3 | −0.11007 (19) | 0.83829 (18) | 1.17492 (10) | 0.0470 (3) | |
C4 | −0.1442 (2) | 0.8837 (2) | 1.27638 (10) | 0.0531 (3) | |
C5 | 0.0143 (2) | 0.90272 (19) | 1.31801 (10) | 0.0540 (3) | |
C6 | 0.2068 (2) | 0.87655 (18) | 1.25750 (10) | 0.0503 (3) | |
C7 | 0.24799 (18) | 0.82807 (16) | 1.15335 (9) | 0.0403 (3) | |
C8 | 0.47691 (17) | 0.75240 (16) | 0.99773 (9) | 0.0412 (3) | |
C9 | 0.68526 (19) | 0.7217 (2) | 0.92895 (11) | 0.0546 (3) | |
H9A | 0.7371 | 0.5987 | 0.9015 | 0.082* | |
H9B | 0.7784 | 0.7393 | 0.9674 | 0.082* | |
H9C | 0.6743 | 0.8075 | 0.8737 | 0.082* | |
C10 | 0.21267 (19) | 0.63937 (19) | 0.81444 (9) | 0.0465 (3) | |
H10A | 0.1105 | 0.7551 | 0.8041 | 0.056* | |
H10B | 0.1429 | 0.5643 | 0.8593 | 0.056* | |
C11 | 0.3226 (2) | 0.54186 (19) | 0.71328 (10) | 0.0523 (3) | |
H11A | 0.4218 | 0.4258 | 0.7258 | 0.063* | |
H11B | 0.2221 | 0.5146 | 0.6826 | 0.063* | |
C12 | 0.3726 (3) | 0.7066 (2) | 0.55269 (11) | 0.0625 (4) | |
C13 | 0.6852 (3) | 0.7454 (3) | 0.54185 (14) | 0.0820 (5) | |
H13A | 0.6957 | 0.8634 | 0.5570 | 0.098* | |
H13B | 0.8151 | 0.6739 | 0.4986 | 0.098* | |
C14 | 0.6363 (3) | 0.6450 (3) | 0.63974 (11) | 0.0682 (4) | |
H14A | 0.7319 | 0.5209 | 0.6375 | 0.082* | |
H14B | 0.6394 | 0.7098 | 0.6991 | 0.082* | |
N1 | 0.12438 (14) | 0.75658 (13) | 1.01023 (7) | 0.0406 (2) | |
N2 | 0.44386 (15) | 0.80020 (15) | 1.09343 (8) | 0.0462 (3) | |
N3 | 0.43028 (18) | 0.64507 (16) | 0.64066 (8) | 0.0534 (3) | |
O1 | 0.36793 (12) | 0.67107 (12) | 0.85906 (6) | 0.0460 (2) | |
O2 | 0.2172 (2) | 0.70974 (18) | 0.52691 (9) | 0.0879 (4) | |
O3 | 0.5186 (2) | 0.76983 (16) | 0.49204 (8) | 0.0829 (4) | |
H3 | −0.220 (2) | 0.8300 (19) | 1.1449 (11) | 0.052 (4)* | |
H4 | −0.280 (2) | 0.908 (2) | 1.3175 (13) | 0.068 (4)* | |
H5 | −0.009 (2) | 0.934 (2) | 1.3883 (14) | 0.064 (4)* | |
H6 | 0.322 (3) | 0.889 (2) | 1.2864 (13) | 0.071 (4)* |